[2-(3-bromo-4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine

C12H10BrF3N2S — CID 107915424

IUPAC[2-(3-bromo-4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESCc1ccc(-c2nc(C(F)(F)F)c(CN)s2)cc1Br
InChIInChI=1S/C12H10BrF3N2S/c1-6-2-3-7(4-8(6)13)11-18-10(12(14,15)16)9(5-17)19-11/h2-4H,5,17H2,1H3
InChIKeyJUVOKLRERHPTEI-UHFFFAOYSA-N
MW351.19 g/mol
LogP4.36
Rot. Bonds2

About [2-(3-bromo-4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine

[2-(3-bromo-4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 107915424) has the molecular formula C12H10BrF3N2S and a molecular weight of 351.19 g/mol. Its IUPAC name is [2-(3-bromo-4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(3-bromo-4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID107915424
Molecular FormulaC12H10BrF3N2S
Molecular Weight351.19 g/mol
Exact Mass349.97
IUPAC Name[2-(3-bromo-4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESCc1ccc(-c2nc(C(F)(F)F)c(CN)s2)cc1Br
InChIInChI=1S/C12H10BrF3N2S/c1-6-2-3-7(4-8(6)13)11-18-10(12(14,15)16)9(5-17)19-11/h2-4H,5,17H2,1H3
InChIKeyJUVOKLRERHPTEI-UHFFFAOYSA-N
XLogP4.36
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.19
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-bromo-4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 107915426
[2-(3-chlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 113497267
[2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 82800650
[2-(3-methyl-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 113497248
2-[2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 82801601
N-[[2-(3-bromo-4-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 107915459
N-[[2-(3-bromo-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 107915395
2-[5-(3-bromo-4-methylphenyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 81488182
[2-(6-methoxypyridazin-3-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 103375114
[2-(3-fluoro-4-methylphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 114361662
2-(3-bromo-4-methylphenyl)-1,3-thiazol-4-amine
CID 107916044
[2-(3-bromo-4-methylphenyl)pyrimidin-5-yl]methanamine
CID 107915560

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromo-4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(3-bromo-4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (CID 107915424) is [2-(3-bromo-4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(3-bromo-4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(3-bromo-4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is Cc1ccc(-c2nc(C(F)(F)F)c(CN)s2)cc1Br.
What is the InChIKey of [2-(3-bromo-4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is JUVOKLRERHPTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrF3N2S/c1-6-2-3-7(4-8(6)13)11-18-10(12(14,15)16)9(5-17)19-11/h2-4H,5,17H2,1H3.
What are the key properties of [2-(3-bromo-4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
[2-(3-bromo-4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 351.19 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromo-4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 107915424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).